3,4a,5-trimethyl-3,4-dihydrobenzo[f][1]benzofuran-2-one

C15H16O2 — CID 140992754

IUPAC3,4a,5-trimethyl-3,4-dihydrobenzo[f][1]benzofuran-2-one
SMILESCC1=CC=CC2=CC3=C(CC12C)C(C)C(=O)O3
InChIInChI=1S/C15H16O2/c1-9-5-4-6-11-7-13-12(8-15(9,11)3)10(2)14(16)17-13/h4-7,10H,8H2,1-3H3
InChIKeyYANIQNWUYPSUQK-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.29
Rot. Bonds

About 3,4a,5-trimethyl-3,4-dihydrobenzo[f][1]benzofuran-2-one

3,4a,5-trimethyl-3,4-dihydrobenzo[f][1]benzofuran-2-one (PubChem CID 140992754) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3,4a,5-trimethyl-3,4-dihydrobenzo[f][1]benzofuran-2-one.

Molecular Properties

Compound Name3,4a,5-trimethyl-3,4-dihydrobenzo[f][1]benzofuran-2-one
PubChem CID140992754
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name3,4a,5-trimethyl-3,4-dihydrobenzo[f][1]benzofuran-2-one
SMILESCC1=CC=CC2=CC3=C(CC12C)C(C)C(=O)O3
InChIInChI=1S/C15H16O2/c1-9-5-4-6-11-7-13-12(8-15(9,11)3)10(2)14(16)17-13/h4-7,10H,8H2,1-3H3
InChIKeyYANIQNWUYPSUQK-UHFFFAOYSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4a,5-trimethyl-3,4-dihydrobenzo[f][1]benzofuran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4a,5-trimethyl-3,4-dihydrobenzo[f][1]benzofuran-2-one?
The IUPAC name of 3,4a,5-trimethyl-3,4-dihydrobenzo[f][1]benzofuran-2-one (CID 140992754) is 3,4a,5-trimethyl-3,4-dihydrobenzo[f][1]benzofuran-2-one.
What is the SMILES notation for 3,4a,5-trimethyl-3,4-dihydrobenzo[f][1]benzofuran-2-one?
The canonical SMILES for 3,4a,5-trimethyl-3,4-dihydrobenzo[f][1]benzofuran-2-one is CC1=CC=CC2=CC3=C(CC12C)C(C)C(=O)O3.
What is the InChIKey of 3,4a,5-trimethyl-3,4-dihydrobenzo[f][1]benzofuran-2-one?
The InChIKey is YANIQNWUYPSUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-9-5-4-6-11-7-13-12(8-15(9,11)3)10(2)14(16)17-13/h4-7,10H,8H2,1-3H3.
What are the key properties of 3,4a,5-trimethyl-3,4-dihydrobenzo[f][1]benzofuran-2-one?
3,4a,5-trimethyl-3,4-dihydrobenzo[f][1]benzofuran-2-one has a molecular weight of 228.29 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4a,5-trimethyl-3,4-dihydrobenzo[f][1]benzofuran-2-one is sourced from PubChem (CID 140992754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).